AG0079N4

374791-04-5 | Fmoc-(R)-3-Amino-3-(3-nitro-phenyl)-propionic acid

AG0079N4

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CAS Number	374791-04-5
Catalog Number	AG0079N4(AGN-PC-0RDZWO)
Chemical Name	Fmoc-(R)-3-Amino-3-(3-nitro-phenyl)-propionic acid
IUPAC Name	(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoic acid
InChI	InChI=1S/C24H20N2O6/c27-23(28)13-22(15-6-5-7-16(12-15)26(30)31)25-24(29)32-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,25,29)(H,27,28)/t22-/m1/s1
InChI Key	SFZOBIQWMMCMFE-JOCHJYFZSA-N
MDL Number	MFCD01631080
Molecular Formula	C24H20N2O6
Molecular Weight	432.4254
SMILES	O=C(O)C[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C4=CC=CC([N+]([O-])=O)=C4
Synonyms	374791-04-5, (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-nitrophenyl)propanoic acid, Fmoc-(R)-3-Amino-3-(3-nitro-phenyl)-propionic acid, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoic acid, 374791-01-2, Fmoc-D-?-Phe(3-NO2)-OH, PubChem17341, AC1MC5ND, Fmoc-R-3-Amino-3-(3-nitro-phenyl)-propionic acid, Fmoc-(S)-3-Amino-3-(3-nirtophenyl)propionic acid, Fmoc-(R)-3-amino-3-(3-nitro-phenyl)-propanoic acid, SCHEMBL3810153, ZINC2381567, MFCD01631080, AKOS015948834, CF-1224, AC-22058, ACM374791045, AK162614, AN-28656, PS-12457, AX8130709, RT-012796, ST24035388, TL80073865, A-7926, 791F045, Fmoc-(S)-3-Amino-3-(3-nitrophenyl)-propionic acid, (R)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(3-nitrophenyl)propanoic acid, ACN-026203, CID2761745, Fmoc-(R)-3-amino-3-(3-nitrophenyl)propionic acid, FMOC-(R)-3-AMINO-3-(3-NITRO-PHENYL)-PROPIONICACID, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoic Acid, Benzenepropanoic acid, |A-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-nitro-, (|AR)-,

Complexity	673
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	432.132g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	432.432g/mol
Monoisotopic Mass	432.132g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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